6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C16H15N5OS2 — CID 46203479

IUPAC6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nn3c(-c4nc(C(C)C)cs4)nnc3s2)cc1
InChIInChI=1S/C16H15N5OS2/c1-9(2)12-8-23-15(17-12)13-18-19-16-21(13)20-14(24-16)10-4-6-11(22-3)7-5-10/h4-9H,1-3H3
InChIKeySEOQTLROISYJTB-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.11
Rot. Bonds4

About 6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 46203479) has the molecular formula C16H15N5OS2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID46203479
Molecular FormulaC16H15N5OS2
Molecular Weight357.46 g/mol
Exact Mass357.07
IUPAC Name6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCOc1ccc(-c2nn3c(-c4nc(C(C)C)cs4)nnc3s2)cc1
InChIInChI=1S/C16H15N5OS2/c1-9(2)12-8-23-15(17-12)13-18-19-16-21(13)20-14(24-16)10-4-6-11(22-3)7-5-10/h4-9H,1-3H3
InChIKeySEOQTLROISYJTB-UHFFFAOYSA-N
XLogP4.11
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-({[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}methyl)-1,3-thiazol-2-amine
CID 1300486
4-[6-(4-Methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]benzenesulfonamide
CID 132547291
N-{2-[2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}propane-1-sulfonamide
CID 7244507
2-(4-Methoxyphenyl)-6-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazole
CID 2140141
4-(4-methoxyphenyl)-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-1,3-thiazole
CID 2354223
4-[[5-(2-Methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(4-methylphenyl)-1,3-thiazole
CID 2526869
N-{2-[2-(4-methoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6-yl]ethyl}thiophene-2-sulfonamide
CID 16032170
2-(4-Ethoxyphenyl)-4-[[4-ethyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole
CID 25589663
3-(4-isopropylthiazol-2-yl)-6-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 49844565
4-[3-(4-Isopropylthiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenol
CID 135923330
4-[[5-(4-Methoxyphenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-phenyl-1,3-thiazole
CID 2392016
3-(3-(4-Isopropylthiazol-2-yl)-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 49844713

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 46203479) is 6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is COc1ccc(-c2nn3c(-c4nc(C(C)C)cs4)nnc3s2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is SEOQTLROISYJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5OS2/c1-9(2)12-8-23-15(17-12)13-18-19-16-21(13)20-14(24-16)10-4-6-11(22-3)7-5-10/h4-9H,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 357.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-3-(4-propan-2-yl-1,3-thiazol-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 46203479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).